CAS RN: 226700-79-4
CAS Name: N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester
OPENEYE Name: [(3S)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-phosphonooxy-propyl]carbamate
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
SYSTEMATIC NAME: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamate
MOLECULAR FORMULA: C25H36N3O9PS
MOLECULAR WEIGHT: 585.606801
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 226700-81-8
CAS Name: N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester
OPENEYE Name: [(3S)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-phosphonooxy-propyl]carbamate
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
SYSTEMATIC NAME: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamate
MOLECULAR FORMULA: C25H36N3O9PS
MOLECULAR WEIGHT: 585.606801
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 226700-81-8
CAS Name: calcium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[oxo-[[(3S)-3-oxolanyl]oxy]methyl]amino]-4-phenylbutan-2-yl] phosphate
OPENEYE Name: calcium [(1R,2S)-1-[[(4-aminophenyl)sulfonyl-isobutyl-amino]methyl]-3-phenyl-2-[[(3S)-tetrahydrofuran-3-yl]oxycarbonylamino]propyl] phosphate
IUPAC Name: calcium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl] phosphate
SYSTEMATIC NAME: calcium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenyl-butan-2-yl] phosphate
MOLECULAR FORMULA: C25H34CaN3O9PS
MOLECULAR WEIGHT: 623.668921
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
Structure:
CAS RN: 132639-68-0
CAS Name: carbonic acid [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester
OPENEYE Name: [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
IUPAC Name: [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
MOLECULAR FORMULA: C23H31NO4
MOLECULAR WEIGHT: 385.49654
SMILES: CCOC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C#N
Structure:
CAS RN: 115972-78-6
CAS Name: 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
OPENEYE Name: O3-ethyl O5-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-ethyl 5-O-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 2-[2-(2-azanylethoxy)ethoxymethyl]-4-[2,3-bis(chloranyl)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C22H28Cl2N2O6
MOLECULAR WEIGHT: 487.37352
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCOCCN
Structure:
CAS RN: 132636-01-2
CAS Name: 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester hydrochloride
OPENEYE Name: O3-ethyl O5-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 3-O-ethyl 5-O-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O3-ethyl O5-methyl 2-[2-(2-azanylethoxy)ethoxymethyl]-4-[2,3-bis(chloranyl)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C22H29Cl3N2O6
MOLECULAR WEIGHT: 523.83446
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCOCCN.Cl
Structure:
CAS RN: 132633-86-4
CAS Name: acetic acid [(8R,9S,13S,14S)-3-acetyloxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,13S,14S)-3-acetoxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,13S,14S)-3-acetyloxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,13S,14S)-3-acetyloxy-2,4-bis(bromanyl)-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H24Br2O4
MOLECULAR WEIGHT: 512.23156
SMILES: CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C(C(=C(C=C34)Br)OC(=O)C)Br)C
Structure:
CAS RN: 132627-73-7
CAS Name: N-[8-(hydroxymethyl)-3-oxo-2-phenoxazinyl]acetamide
OPENEYE Name: N-[8-(hydroxymethyl)-3-oxo-phenoxazin-2-yl]acetamide
IUPAC Name: N-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide
SYSTEMATIC NAME: N-[8-(hydroxymethyl)-3-oxidanylidene-phenoxazin-2-yl]ethanamide
MOLECULAR FORMULA: C15H12N2O4
MOLECULAR WEIGHT: 284.26678
SMILES: CC(=O)NC1=CC2=NC3=C(C=CC(=C3)CO)OC2=CC1=O
Structure:
CAS RN: 132609-68-8
CAS Name: (8R,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-2,2,10,13-tetramethyl-4-oxidanyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=O)C(C[C@]34C)(C)C)O
Structure:
CAS RN: 132603-09-9
CAS Name: 6-methyl-10-spiro[4.5]dec-9-enecarboxylic acid
OPENEYE Name: 6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
IUPAC Name: 6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
SYSTEMATIC NAME: 6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC1CCC=C(C12CCCC2)C(=O)O
Structure:
CAS RN: 132587-63-4
CAS Name: 3-methoxy-1-methyl-2-propyl-4-quinolinone
OPENEYE Name: 3-methoxy-1-methyl-2-propyl-quinolin-4-one
IUPAC Name: 3-methoxy-1-methyl-2-propylquinolin-4-one
SYSTEMATIC NAME: 3-methoxy-1-methyl-2-propyl-quinolin-4-one
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCCC1=C(C(=O)C2=CC=CC=C2N1C)OC
Structure:
CAS RN: 132577-55-0
CAS Name: methanesulfonic acid [2,6,6-tris(methylsulfonyloxymethyl)-2-spiro[3.3]heptanyl]methyl ester
OPENEYE Name: [2,6,6-tris(methylsulfonyloxymethyl)spiro[3.3]heptan-2-yl]methyl methanesulfonate
IUPAC Name: [2,6,6-tris(methylsulfonyloxymethyl)spiro[3.3]heptan-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [2,6,6-tris(methylsulfonyloxymethyl)spiro[3.3]heptan-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C15H28O12S4
MOLECULAR WEIGHT: 528.63562
SMILES: CS(=O)(=O)OCC1(CC2(C1)CC(C2)(COS(=O)(=O)C)COS(=O)(=O)C)COS(=O)(=O)C
Structure:
CAS RN: 132545-47-2
CAS Name: 8,8-bis(methylsulfonyloxymethyl)dispiro[3.1.3^{6}.1^{4}]decane-2,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 8,8-bis(methylsulfonyloxymethyl)dispiro[3.1.3^{6}.1^{4}]decane-2,3-dicarboxylate
IUPAC Name: diethyl 8,8-bis(methylsulfonyloxymethyl)dispiro[3.1.3^{6}.1^{4}]decane-2,3-dicarboxylate
SYSTEMATIC NAME: diethyl 8,8-bis(methylsulfonyloxymethyl)dispiro[3.1.3^{6}.1^{4}]decane-2,3-dicarboxylate
MOLECULAR FORMULA: C20H32O10S2
MOLECULAR WEIGHT: 496.59208
SMILES: CCOC(=O)C1CC2(C1C(=O)OCC)CC3(C2)CC(C3)(COS(=O)(=O)C)COS(=O)(=O)C
Structure:
CAS RN: 132523-92-3
CAS Name: 3-benzoyl-5-ethyl-4-[[4-(2-methyl-4,5-dihydroimidazol-1-yl)phenyl]-oxomethyl]-1H-imidazol-2-one
OPENEYE Name: 3-benzoyl-5-ethyl-4-[4-(2-methyl-4,5-dihydroimidazol-1-yl)benzoyl]-1H-imidazol-2-one
IUPAC Name: 3-benzoyl-5-ethyl-4-[4-(2-methyl-4,5-dihydroimidazol-1-yl)benzoyl]-1H-imidazol-2-one
SYSTEMATIC NAME: 5-ethyl-4-[4-(2-methyl-4,5-dihydroimidazol-1-yl)phenyl]carbonyl-3-(phenylcarbonyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C23H22N4O3
MOLECULAR WEIGHT: 402.44578
SMILES: CCC1=C(N(C(=O)N1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN=C4C
Structure:
CAS RN: 132462-11-4
CAS Name: 3-methyl-3-propan-2-yl-2-oxolanone
OPENEYE Name: 3-isopropyl-3-methyl-tetrahydrofuran-2-one
IUPAC Name: 3-methyl-3-propan-2-yloxolan-2-one
SYSTEMATIC NAME: 3-methyl-3-propan-2-yl-oxolan-2-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC(C)C1(CCOC1=O)C
Structure:
CAS RN: 132437-60-6
CAS Name: (2S,3S)-3-propyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,3S)-3-propylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S,3S)-3-propylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-3-propylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCC[C@H]1CCN[C@@H]1C(=O)O
Structure:
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